Effect of pd hybridization and structural distortion on the electronic properties of AgAlM2(M=S,Se,Te) chalcopyrite semiconductors

Solid State Communications

Volumn 151, Issue 7, 2011, Pages 523-528

  Mishra, S ^a   Ganguli, B ^a  

^a NATIONAL INSTITUTE OF TECHNOLOGY   (India)

Author keywords

A. Chalcopyrite; A. Semiconductors; E. Density functional theory; E. TB LMTO

Indexed keywords

A. CHALCOPYRITE; A. SEMICONDUCTORS; AB INITIO CALCULATIONS; ANION DISPLACEMENT PARAMETER; BAND GAPS; CHALCOPYRITE SEMICONDUCTOR; DIRECT BAND GAP SEMICONDUCTORS; E. DENSITY FUNCTIONAL THEORY; E. TB-LMTO; EFFECTS OF ANIONS; EQUILIBRIUM VALUE; EXPERIMENTAL VALUES; LINEAR MUFFIN-TIN ORBITALS; STRUCTURAL DISTORTIONS; TETRAGONAL DISTORTION; TIGHT BINDING;

COPPER COMPOUNDS; ELECTRONIC PROPERTIES; ENERGY GAP; EQUILIBRIUM CONSTANTS; LATTICE CONSTANTS; SEMICONDUCTING SELENIUM COMPOUNDS; TIN;

DENSITY FUNCTIONAL THEORY;

EID: 79952043356     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2011.01.024     Document Type: Article

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